The BCL method is a theoretical framework to understand and predict dyes and their efficiency in solar cells. The method is comprehensively presented in a recent paper. It is based on a system of equations using TDDFT to obtain the Global Efficiency Index (GEI), for the efficiency of a dye-sensitized solar cell. The GEI is obtained through the product of three factors: the available energy for injection(F1), the amount of charge injected(F2), and the efficiency of regeneration(F3). The results so far obtained show a promising correlation with the experimental photo conversion efficiency (PCE). Moreover, the method provides theoretical tools that allow understanding of the operation of the cell, and keys to optimize it.
- Good reproduction of Experimental results
- All calculations performed woith the ADF package
- Using OPBE exchange-correlation functional and SAOP model potential
- Applications in the field of lithium solar batteries and development of improved pigments are proposed
M. Barrera, I. Crivelli, B. Loed, The BCL Method for DSSC: Basis and Applications, Appl. Sci. 12, 2358 (2022)Key conceptsADF batteries DSSCs organic electronics TDDFT